| SpectraBase Compound ID | CBeTlOE2DYS |
|---|---|
| InChI | InChI=1S/C9H9F2NO/c1-6(13)12-8-4-2-7(3-5-8)9(10)11/h2-5,9H,1H3,(H,12,13) |
| InChIKey | GRZDJXBNQXQHMY-UHFFFAOYSA-N |
| Mol Weight | 185.17 g/mol |
| Molecular Formula | C9H9F2NO |
| Exact Mass | 185.06522 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AzThocEIo1o |
|---|---|
| Name | Methyl 4-(difluoromethyl)acetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.065220239 u |
| Formula | C9H9F2NO |
| InChI | InChI=1S/C9H9F2NO/c1-6(13)12-8-4-2-7(3-5-8)9(10)11/h2-5,9H,1H3,(H,12,13) |
| InChIKey | GRZDJXBNQXQHMY-UHFFFAOYSA-N |
| Molecular Weight | 185.174 g/mol |
| SMILES | C(NC1=CC=C(C=C1)C(F)F)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956247 |